CID 154577123

2-bromo-1-methyl-1-(trifluoromethyl)cyclopropane

Structural Information

Molecular Formula
C5H6BrF3
SMILES
CC1(CC1Br)C(F)(F)F
InChI
InChI=1S/C5H6BrF3/c1-4(2-3(4)6)5(7,8)9/h3H,2H2,1H3
InChIKey
UPTIGORXVZPYNM-UHFFFAOYSA-N
Compound name
2-bromo-1-methyl-1-(trifluoromethyl)cyclopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.9605 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.96778 131.1
[M+Na]+ 224.94972 145.9
[M-H]- 200.95322 135.6
[M+NH4]+ 219.99432 151.3
[M+K]+ 240.92366 135.4
[M+H-H2O]+ 184.95776 130.5
[M+HCOO]- 246.95870 148.5
[M+CH3COO]- 260.97435 185.3
[M+Na-2H]- 222.93517 139.4
[M]+ 201.95995 147.5
[M]- 201.96105 147.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.